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BioLiP Library

PDB CCD ID: V0Q
Number of entries in BioLiP: 1
Chemical formula: C13 H20 N2 O3 S
InChI: InChI=1S/C13H20N2O3S/c1-2-14-7-9-15(10-8-14)19(17,18)13-5-3-12(11-16)4-6-13/h3-6,16H,2,7-11H2,1H3
InChIKey: STTZDXPCBNCOSK-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385CCN1CCN(CC1)[S](=O)(=O)c2ccc(CO)cc2
OpenEye OEToolkits 2.0.7CCN1CCN(CC1)S(=O)(=O)c2ccc(cc2)CO
Name:[4-(4-ethylpiperazin-1-yl)sulfonylphenyl]methanol
Reference:
  • Chengxin Zhang, Xi Zhang, Peter L Freddolino, and Yang Zhang. BioLiP2: an updated structure database for biologically relevent ligand-protein interactions, Nucleic Acids Research, gkad630 (2023)(download the PDF file).
  • Jianyi Yang, Ambrish Roy, and Yang Zhang. BioLiP: a semi-manually curated database for biologically relevant ligand-protein interactions, Nucleic Acids Research, 41: D1096-D1103 (2013) (download the PDF file).

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